1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]thiourea Formula: C17H19ClN4O2S2 MolecularWeight: 410.94136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CS3

InChI

InChI=1S/C17H19ClN4O2S2/c18-13-6-5-12(22(23)24)10-14(13)20-17(25)19-11-15(16-4-3-9-26-16)21-7-1-2-8-21/h3-6,9-10,15H,1-2,7-8,11H2,(H2,19,20,25)/t15-/m0/s1